2-{[(2R)-2-amino-2-(4-hydroxyphenyl)ethanoyl]amino}ethanesulphonic acid | 439088-67-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-{[(2R)-2-amino-2-(4-hydroxyphenyl)ethanoyl]amino}ethanesulphonic acid
• 英文别名: 2-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}ethanesulfonic acid；2-{[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}ethane-1-sulfonic acid；2-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]ethanesulfonic acid
• CAS: 439088-67-2
• 化学式: C₁₀H₁₄N₂O₅S
• 分子量: 274.298
• InChiKey: HRJFOJURJZDRDY-SECBINFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.4
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  138
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-{[(2R)-2-amino-2-(4-hydroxyphenyl)ethanoyl]amino}ethanesulphonic acid 、 {[3,3-dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-8-yl]oxy}acetic acid 在 N-甲基吗啉 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 以71%的产率得到1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-(N-{(R)-α-[N'-(2-sulphoethyl)carbamoyl]-4-hydroxybenzyl}carbamoylmethoxy)-2,3,4,5-tetrahydro-1,5-benzothiazepine
  参考文献：
  名称：

  Chemical compounds

  摘要：

  本发明涉及式(I)的化合物：（其中变量团如所定义）药用可接受的盐、溶剂化物、这些盐的溶剂化物以及前药及其作为回肠胆酸转运(IBAT)抑制剂用于治疗高脂血症的用途。还描述了它们的制造过程和包含它们的药物组合物。

  公开号：

  US20040067933A1
• 作为产物：
  描述：

  N-Boc-R-对羟基苯甘氨酸 、 tetra-n-butylammonium taurinate 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 、 二氯甲烷 为溶剂， 反应 2.5h， 以71%的产率得到2-{[(2R)-2-amino-2-(4-hydroxyphenyl)ethanoyl]amino}ethanesulphonic acid
  参考文献：
  名称：

  BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA

  摘要：

  公开号：

  EP1427423B9

文献信息

• [EN] DIPHENYLAZETIDINONE DERIVATIVES FOR TREATING DISORDERS OF THE LIPID METABOLISM<br/>[FR] DERIVES DE DIPHENYLAZETIDINONE POUR LE TRAITEMENT DE TROUBLES DE METABOLISME LIPIDIQUE
  申请人：ASTRAZENECA AB

  公开号：WO2004005247A1

  公开（公告）日：2004-01-15

  Compounds of formula (I): (wherein variable groups are as defined within) pharmaceutically acceptable salts, solvates, solvates of such salts and prodrugs thereof and their use as cholesterol absorption inhibitors for the treatment of hyperlipidaemia are described. Processes for their manufacture and pharmaceutical compositions containing them are also described.

  公式（I）的化合物：（其中变量基团如定义）药用可接受的盐、溶剂化合物、该类盐的溶剂化合物及其前药，以及它们作为治疗高脂血症的胆固醇吸收抑制剂的用途已经描述。还描述了它们的制备方法和含有它们的药物组合物。
• [EN] CHEMICAL COMPOUNDS<br/>[FR] 1,5-BENZOTHIAZEPINES ET LEUR UTILISATION EN TANT QU'AGENTS ANTIHYPERLIPIDEMIE
  申请人：ASTRAZENECA AB

  公开号：WO2002050051A1

  公开（公告）日：2002-06-27

  The present invention relates to compounds of the formula (I): (wherein variable groups are as defined within) pharmaceutically acceptable salts, solvates, solvates of such salts and prodrugs thereof and their use as ileal bile acid transport (IBAT) inhibitors for the treatment of hyperlipidaemia. Processes for their manufacture and pharmaceutical compositions containing them are also described.

  本发明涉及化合物的公式（I）（其中变量基团如定义），药学上可接受的盐，这些盐的溶剂，这些盐的溶剂和它们的前药，以及它们作为回肠胆汁酸转运（IBAT）抑制剂用于治疗高脂血症的用途。还描述了它们的制造过程和含有它们的制药组合物。
• Diphenylazetidinone derivatives for treating disorders of the lipid metabolism
  申请人：Starke Ingemar

  公开号：US20050239766A1

  公开（公告）日：2005-10-27

  Compounds of formula (I): (wherein variable groups are as defined within) pharmaceutically acceptable salts, solvates, solvates of such salts and prodrugs thereof and their use as cholesterol absorption inhibitors for the treatment of hyperlipidaemia are described. Processes for their manufacture and pharmaceutical compositions containing them are also described.

  本文描述了公式(I)的化合物：(其中变量基团的定义如下)、药学上可接受的盐、该盐的溶剂合物、该盐的溶剂合物的前药及其用作治疗高血脂症的胆固醇吸收抑制剂的用途。还描述了它们的制造过程和含有它们的制药组合物。
• Benzothiazepine derivatives for the treatment of hyperlipidemia
  申请人：Starke Ingemar

  公开号：US20050032776A1

  公开（公告）日：2005-02-10

  The present invention relates to compounds of formula (I): wherein variable groups are as defined within; pharmaceutically acceptable salts, solvates, solvates of such salts and prodrugs thereof and their use as ileal bile acid transport (IBAT) inhibitors for the treatment of hyperlipidaemia. Processes for their manufacture and pharmaceutical compositions containing them are also described.

  本发明涉及式(I)的化合物：其中可变基团如定义；其药学上可接受的盐，溶剂化物，该类盐的溶剂化物及其前药的用途，作为治疗高脂血症的回肠胆汁酸转运（IBAT）抑制剂。还描述了它们的制造过程和含有它们的药物组合物。
• Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (ibat) inhibitory activity for the treatment hyperlipidaemia
  申请人：Starke Ingemar

  公开号：US20050038009A1

  公开（公告）日：2005-02-17

  The present invention relates to compounds of formula (I) wherein R v , R 1 , R 2 , R x , R y , M, R z , v, R 3 , R 4 , R 5 and R 6 are as defined within; pharmaceutically acceptable salts, solvates, solvates of such salts and prodrugs thereof and their use as ileal bile acid transport (IBAT) inhibitors for the treatment of hyperlipidaemia. Processes for their manufacture and pharmaceutical compositions containing them are also described.

  本发明涉及式(I)化合物，其中Rv、R1、R2、Rx、Ry、M、Rz、v、R3、R4、R5和R6的定义如下；药学上可接受的盐、溶剂、这些盐的溶剂和其前药，并且它们的用途是作为追随性胆汁酸转运（IBAT）抑制剂，用于治疗高脂血症。还描述了它们的制造过程和包含它们的制药组合物。